1-[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(3-pyridyl)thiourea CAS Name: 1-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[2-hydroxy-3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-(3-pyridyl)thiourea Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCC(CNC(=S)NC3=CN=CC=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCC(CNC(=S)NC3=CN=CC=C3)O

InChI

InChI=1S/C17H18N6O2S/c24-12(10-20-17(26)21-11-4-3-7-18-8-11)9-19-15-13-5-1-2-6-14(13)16(25)23-22-15/h1-8,12,24H,9-10H2,(H,19,22)(H,23,25)(H2,20,21,26)